SCHEMBL7286337

SCHEMBL7286337

CC[C@](CCC(=O)O)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CTSS P25774 1/20 0.41
SYK P43405 1/20 0.41
POLB P06746 1/20 0.41
CTSK P43235 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1399017 1.00 HTT (0.50) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL1399018 1.00 HTT (0.50) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL1399015 0.91 HTT (0.49) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL1399012 0.91 HTT (0.49) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL8981259 0.89 MEN1 (0.55) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2921263 0.88 HTT (0.51) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2917076 0.88 HTT (0.51) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL7367330 0.87 SYK (0.47) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL1479625 0.84 CTSS (0.49) MEN1KMT2ACTSSCTSK
SCHEMBL8981083 0.83 MEN1 (0.52) HTTMEN1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed